SCHEMBL2213744

SCHEMBL2213744

COc1cc(C(=CC(=O)O)C(C)=O)c(CC(C)C)c(OC)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
KDM4E B2RXH2 5/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA3 P07451 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2211615 0.88 ALOX5 (0.41) PKMPTGS2PTGS1KDM4EGAA
SCHEMBL2213832 0.86 PKM (0.38) PKMPTGS2PTGS1KDM4EGAA
SCHEMBL5748233 0.83 ALOX5 (0.34) ALDH1A1CA2TDP1LMNAPPARG
SCHEMBL5750215 0.83 RARG (0.40) PKMPTGS2PTGS1KDM4EGAA
SCHEMBL2268666 0.76 RXRA (0.40) PKMKDM4EGAAALDH1A1KMT2A
SCHEMBL1354887 0.71 MAPT (0.46) PKMPTGS2KDM4EGAAALDH1A1
SCHEMBL9363323 0.69 MAPT (0.40) PKMPTGS2PTGS1KDM4EGAA
SCHEMBL2211640 0.66 MAPT (0.34) PKMKDM4EALDH1A1CA12CA1
SCHEMBL5749454 0.66 ALOX5 (0.42) PKMKDM4EGAAALDH1A1KMT2A
SCHEMBL27563989 0.65 TDP1 (0.45) PKMPTGS2PTGS1KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1952843-B1 Photostable organic sunscreen compounds with antioxidant properties and compositions obtained therefrom MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
EP-1747773-B1 Photostable organic sunscreen compositions with antioxidant properties MERCK PATENT GMBH (DE) 2010-08-04 EP disclosed
EP-1952843-A1 Photostable organic sunscreen compounds with antioxidant properties and compositions obtained therefrom Merck Patent GmbH (DE) 2008-08-06 EP disclosed
EP-1747773-A2 Photostable organic sunscreen compositions with antioxidant properties Merck Patent GmbH (DE) 2007-01-31 EP disclosed
EP-1406582-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GMBH (DE) 2006-10-25 EP disclosed